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  • Küçük Resim
    Öğe
    Computational screening of dipeptidyl peptidase IV inhibitors from micoroalgal metabolites by pharmacophore modeling and molecular docking
    (Wiley, 2016) Selvaraj, Gurudeeban; Kaliamurthi, Satyavani; Cakmak, Zeynep E.; Cakmak, Turgay
    Dipeptidyl peptidase IV (DPP-IV) catalyzes conversion of GLP1 (glucagon like peptide 1) to inert structure, which results in insufficient secretion of insulin and increase in postprandial blood glucose level. The present study attempts to identify novel inhibitors from bioactive metabolites present in microalgae against DPP-IV through virtual screening, molecular docking, and pharmacophore modeling for the active target. Possible binding modes of all 60 ligands against DPP-IV receptor were constructed using MTiOpenScreen virtual screening server. Pharmacophore model was built based on identified 38 DPP-IV test ligands by using the web-based PharmaGist program which encompasses hydrogen-bond acceptors, hydrophobic groups, spatial features, and aromatic rings. The pharmacophore model having highest scores was selected to screen active DPP-IV ligands. Highest scoring model was used as a query in ZincPharmer screening. All identified ligands were filtered, based on the Lipinski's ruleof- five and were subjected to docking studies. In the process of docking analyses, we considered different bonding modes of one ligand with multiple active cavities of DPP-IV with the help of AutoDock 4.0. The docking analyses indicate that the bioactive constituents, namely, beta-stigmasterol, barbamide, docosahexaenoic acid, arachidonic acid, and harman showed the best binding energies on DPP-IV receptor and hydrogen bonding with ASP545, GLY741, TYR754, TYR666, ARG125, TYR547, SER630, and LYS554 residues. This study concludes that docosahexaenoic acid, arachidonic acid, beta-stigmasterol, barbamide, harman, ZINC58564986, ZINC56907325, ZINC69432950, ZINC69431828, ZINC73533041, ZINC84287073, ZINC69849395, and ZINC10508406 act as possible DPP-IV inhibitors.
  • Küçük Resim
    Öğe
    Production and characterization of spherical thermostable silver nanoparticles from Spirulina platensis (Cyanophyceae)
    (Taylor & Francis Ltd, 2016) Kaliamurthi, Satyavani; Selvaraj, Gurudeeban; Cakmak, Zeynep Elibol; Cakmak, Turgay
    Biological production of silver nanoparticles (SNP) has recently received considerable attention because of their therapeutic applications. The present study reports the production and characterization of spherical-thermostable SNP from Spirulina platensis. Wet biomass harvested from optimized logarithmic-phase culture was used for production of SNP in 1, 3, or 5 mM silver nitrate solution. Formation and concentration of spherical SNP was highest when S. platensis was treated with 3 mM silver nitrate. Fourier transform infrared spectra of SNP indicate that vanillin, coumarins, tannins, amide, and glycogen may act as stabilizing agents for bioreduction. The crystalline nature of the produced SNP was evidenced from X-ray diffractometer analysis. Weight loss of SNP occurred at 210 degrees C, 310 degrees C, and 510 degrees C as shown by thermogravimetric analysis. This study shows that S. platensis may be used as an efficient tool for production of spherical, crystalline, and thermostable SNP.